Basic information
- CAS
314-03-4- Standard SMILES
CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1- InChIKey
NZLVRVYNQYGMAB-UHFFFAOYSA-N- Molecular formula
- C19H19NS
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.12382078
Overview
1-methyl-4-(9-thioxanthenylidene)piperidine is a member of thioxanthenes.
Names & identifiers
- Preferred name
- Pimethixene
- IUPAC
- 1-methyl-4-thioxanthen-9-ylidenepiperidine
- English name
- pimethixene
- Molecular formula
- C19H19NS
- Molecular weight
- 293.43
Names & synonyms
pimethixene314-03-4CalmixenePIMETIXENE1-methyl-4-(9H-thioxanthen-9-ylidene)piperidinePimetixenoBP 400Pimethixenum1-methyl-4-thioxanthen-9-ylidenepiperidineBP-4001-Methyl-4-(thioxanthen-9-ylidene)piperidineT46J20J26F
Show more names
CalmixenMetixene Impurity 3Pimethixene, 10 mM in DMSOPiperidine, 1-methyl-4-(9H-thioxanthen-9-ylidene)-5-HT Receptor,Inhibitor,Serotonin Receptor,5-hydroxytryptamine Receptor,inhibit,Pimethixene,Histamine Receptor
NSC-757828DTXSID0048476RefChem:174281DTXCID0028450R06AX23206-240-4Pimethixene [INN]9-(1-Methyl-4-piperidylidene)thioxanthene
Database identifiers
- CAS
314-03-4- PubChem CID
- 4822
- DTXSID
DTXSID0048476- ChEMBL
CHEMBL152408- ChEBI
CHEBI:94787
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Collision Cross Section167.88 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 121 °C · 121°C
- Boiling point
- 439.7 · 439.7±45.0 °C(Predicted)
- Density
- 1.1211 · 1.1211 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8.83 · 8.83±0.20(Predicted)
- FDA UNII
- 46 J20J26F · T46J20J26F
- ATC code
- 6 AX23 · R06AX23
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Metabolite PathwaysPimethixene H1-Antihistamine Action
Applications
UsesPimethixene is an antihistamine and anticholinergic of the thioxanthene chemical class that is used to treat hyperactivity.
UsesPimethixene is an antihistamine and anticholinergic of the thioxanthene chemical class that is used to treat hyperactivity.
Suppliers25 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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